2-[(E)-2-(3-butoxy-4-methoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(3-butoxy-4-methoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(3-butoxy-4-methoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(3-butoxy-4-methoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-butoxy-4-methoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(3-butoxy-4-methoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N2O4S/c1-3-4-11-26-18-12-14(5-8-17(18)25-2)6-10-20-21-16-13-15(22(23)24)7-9-19(16)27-20/h5-10,12-13H,3-4,11H2,1-2H3/b10-6+